N-[[4-[1-[4-(cyclopropylcarbonylamino)phenyl]ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[1-[4-(cyclopropylcarbonylamino)phenyl]ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[1-[4-[[cyclopropyl(oxo)methyl]amino]phenyl]ethylamino]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]benzyl]adamantane-1-carboxamide Formula: C31H37N3O3 MolecularWeight: 499.64378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(=O)C2CC2)NC(=O)C3=CC=C(C=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)C2CC2)NC(=O)C3=CC=C(C=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H37N3O3/c1-19(24-8-10-27(11-9-24)34-29(36)26-6-7-26)33-28(35)25-4-2-20(3-5-25)18-32-30(37)31-15-21-12-22(16-31)14-23(13-21)17-31/h2-5,8-11,19,21-23,26H,6-7,12-18H2,1H3,(H,32,37)(H,33,35)(H,34,36)